Activity-relevant similarity values for fingerprints and implications for similarity searching. - Swarit Jasial; Ye Hu; Martin Vogt 001; Jürgen Bajorath (F1000Research, 2016)

Assessing the Growth of Bioactive Compounds and Scaffolds over Time: Implications for Lead Discovery and Scaffold Hopping. - Swarit Jasial; Ye Hu; Jürgen Bajorath (J. Chem. Inf. Model., 2016)

Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships. - Tomoyuki Miyao; Swarit Jasial; Jürgen Bajorath; Kimito Funatsu (J. Comput. Aided Mol. Des., 2019)

Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations. - Akinori Sato; Tomoyuki Miyao; Swarit Jasial; Kimito Funatsu (J. Comput. Aided Mol. Des., 2021)

Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping. - Hiroshi Nakano; Tomoyuki Miyao; Swarit Jasial; Kimito Funatsu (J. Chem. Inf. Model., 2021)